BioD PNPI Git Repos - alexxy/gromacs.git/history

biod.pnpi.spb.ru / alexxy / gromacs.git / history

[alexxy/gromacs.git] / src / gromacs / ewald / pme.cpp

2021-10-18	Andrey Alekseenko	Merge release-2021 into master	blob \| commitdiff \| raw
2021-10-18	Andrey Alekseenko	Disable PME Mixed mode with FEP	blob \| commitdiff \| raw \| diff to current
2021-09-25	Berk Hess	Replace DOMAINDECOMP macro by a renamed function	blob \| commitdiff \| raw \| diff to current
2021-09-24	Artem Zhmurov	Fix clang-tidy warnings in pme and sim_utils	blob \| commitdiff \| raw \| diff to current
2021-09-21	Andrey Alekseenko	SYCL PME Spread kernel	blob \| commitdiff \| raw \| diff to current
2021-09-14	Andrey Alekseenko	Merge remote-tracking branch 'origin/release-2021'...	blob \| commitdiff \| raw \| diff to current
2021-08-19	Andrey Alekseenko	Merge remote-tracking branch 'origin/release-2021'...	blob \| commitdiff \| raw \| diff to current
2021-06-29	Paul Bauer	Merge branch release-2021 into master	blob \| commitdiff \| raw \| diff to current
2021-05-24	Joe Jordan	Remove dead members from gmx_pme_t	blob \| commitdiff \| raw \| diff to current
2021-05-20	Joe Jordan	Localize variables in gmx_pme_do	blob \| commitdiff \| raw \| diff to current
2021-05-20	Artem Zhmurov	Use MessageStringCollector class to construct error...	blob \| commitdiff \| raw \| diff to current
2021-05-19	ejjordan	Remove forcerec and inputrec from ewald_LRcorrection	blob \| commitdiff \| raw \| diff to current
2021-05-11	Artem Zhmurov	Fix conditional in assertion	blob \| commitdiff \| raw \| diff to current
2021-05-11	Mark Abraham	Apply clang-format-11	blob \| commitdiff \| raw \| diff to current
2021-05-07	Paul Bauer	Merge branch release-2021 into merge-2021-into-master	blob \| commitdiff \| raw \| diff to current
2021-05-03	Artem Zhmurov	Fix clang-format	blob \| commitdiff \| raw \| diff to current
2021-05-03	Joe Jordan	ArrayRef in pme	blob \| commitdiff \| raw \| diff to current
2021-04-14	Paul Bauer	Modernize wallcycle counting	blob \| commitdiff \| raw \| diff to current
2021-03-17	ejjordan	Use ArrayRef<const real> in gmx_pme_do	blob \| commitdiff \| raw \| diff to current
2021-03-05	Paul Bauer	Merge branch release-2020 into merge-2020-into-2021	blob \| commitdiff \| raw \| diff to current
2021-02-22	Paul Bauer	Refactor md_enums	blob \| commitdiff \| raw \| diff to current
2021-02-12	Mark Abraham	Merge branch release-2021 into master	blob \| commitdiff \| raw \| diff to current
2021-01-29	Dmitry Morozov	Added functionality that allows MdModules to disable...	blob \| commitdiff \| raw \| diff to current
2021-01-29	Mark Abraham	Merge branch release-2021	blob \| commitdiff \| raw \| diff to current
2021-01-07	Paul Bauer	Merge branch release-2020 into merge-2020-into-2021	blob \| commitdiff \| raw \| diff to current
2020-12-18	Mark Abraham	Merge branch release-2021	blob \| commitdiff \| raw \| diff to current
2020-12-16	M. Eric Irrgang	Apply re-formatting to C++ in src/ tree.	blob \| commitdiff \| raw \| diff to current
2020-11-24	Paul Bauer	Merge branch 'origin/release-2020' into merge-2020...	blob \| commitdiff \| raw \| diff to current
2020-10-20	Paul Bauer	Merge branch 'origin/release-2020' into merge-release...	blob \| commitdiff \| raw \| diff to current
2020-10-08	Andrey Alekseenko	Activate SYCL build on CI	blob \| commitdiff \| raw \| diff to current
2020-10-07	Paul Bauer	Merge branch 'origin/release-2020' into merge-release...	blob \| commitdiff \| raw \| diff to current
2020-08-31	Paul Bauer	Merge branch 'release-2020' into master	blob \| commitdiff \| raw \| diff to current
2020-08-04	Erik Lindahl	Simplified uniform GPU selection in CMake	blob \| commitdiff \| raw \| diff to current
2020-07-20	Magnus Lundborg	Two sets of coefficients for Coulomb FEP PME on GPU	blob \| commitdiff \| raw \| diff to current
2020-06-05	Artem Zhmurov	Make a error message less confusing	blob \| commitdiff \| raw \| diff to current
2020-06-04	Artem Zhmurov	Make a error message less confusing	blob \| commitdiff \| raw \| diff to current
2020-05-07	Berk Hess	Avoid warning during PME tuning	blob \| commitdiff \| raw \| diff to current
2020-05-06	Paul Bauer	Merge branch 'origin/release-2020' into master	blob \| commitdiff \| raw \| diff to current
2020-03-25	Artem Zhmurov	Make use of the DeviceStreamManager	blob \| commitdiff \| raw \| diff to current
2020-03-05	Mark Abraham	Simplify PME step workload management	blob \| commitdiff \| raw \| diff to current
2020-03-04	Paul Bauer	Merge "Merge branch release-2020 into master"	blob \| commitdiff \| raw \| diff to current
2020-03-04	Paul Bauer	Merge branch release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-02-28	Paul Bauer	Merge branch release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2020-02-06	Artem Zhmurov	Move DeviceInfo into GPU traits	blob \| commitdiff \| raw \| diff to current
2020-02-05	Berk Hess	Actually fix PME forces with FE without perturbed q/LJ	blob \| commitdiff \| raw \| diff to current
2020-02-04	Berk Hess	Actually fix PME forces with FE without perturbed q/LJ	blob \| commitdiff \| raw \| diff to current
2020-01-28	Paul Bauer	Merge branch origin/release-2020 into master	blob \| commitdiff \| raw \| diff to current
2020-01-09	Artem Zhmurov	Make PBC type enumeration into PbcType enum class	blob \| commitdiff \| raw \| diff to current
2020-01-09	Mark Abraham	Clean up ewald module internals	blob \| commitdiff \| raw \| diff to current
2020-01-09	Mark Abraham	Split lines with many copyright years	blob \| commitdiff \| raw \| diff to current
2020-01-08	Roland Schulz	Merge release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2019-12-27	Paul Bauer	Merge origin/release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2019-11-29	Mark Abraham	Merge branch release-2019 into release-2020	blob \| commitdiff \| raw \| diff to current
2019-11-20	Paul Bauer	Merge 'origin/release-2019' into release-2020	blob \| commitdiff \| raw \| diff to current
2019-11-07	Paul Bauer	Apply clang-format to source tree	blob \| commitdiff \| raw \| diff to current
2019-10-29	Paul Bauer	Merge branch 'release-2019' into master	blob \| commitdiff \| raw \| diff to current
2019-10-16	Szilárd Páll	Fix initialization of field in PME data structure	blob \| commitdiff \| raw \| diff to current
2019-09-25	Szilárd Páll	Merge remote-tracking branch 'origin/release-2019'	blob \| commitdiff \| raw \| diff to current
2019-09-24	Paul Bauer	Merge branch release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-08-22	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2019-08-15	Szilárd Páll	Fix OpenCL gather reduction	blob \| commitdiff \| raw \| diff to current
2019-08-01	Mark Abraham	Merge "Merge release-2019 into master"	blob \| commitdiff \| raw \| diff to current
2019-08-01	Paul Bauer	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2019-07-02	Kevin Boyd	Remove references to ecutsGROUP	blob \| commitdiff \| raw \| diff to current
2019-06-20	Berk Hess	Remove unnecessary #if GMX_MPI in pme code	blob \| commitdiff \| raw \| diff to current
2019-06-19	Szilárd Páll	Disable PME GPU on Apple OpenCL	blob \| commitdiff \| raw \| diff to current
2019-06-19	Berk Hess	Refactor PME atom handling	blob \| commitdiff \| raw \| diff to current
2019-06-14	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-05-14	Berk Hess	Make all do_force_lowlevel() input const	blob \| commitdiff \| raw \| diff to current
2019-03-02	Mark Abraham	Merge branch release-2019	blob \| commitdiff \| raw \| diff to current
2019-02-20	Paul Bauer	Merge "Merge branch 'release-2019' into master"	blob \| commitdiff \| raw \| diff to current
2019-02-20	Paul Bauer	Merge branch 'release-2019' into master	blob \| commitdiff \| raw \| diff to current
2019-02-15	Mark Abraham	Improved diagnostics when PME cannot run on GPUs	blob \| commitdiff \| raw \| diff to current
2019-02-04	Roland Schulz	Rename all source files from - to _ for consistency.	blob \| commitdiff \| raw \| diff to current
2019-01-30	Mark Abraham	Merge remote branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2019-01-23	Roland Schulz	Merge release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-12-31	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-12-19	Paul Bauer	Merge "Merge release-2019 branch into master"	blob \| commitdiff \| raw \| diff to current
2018-12-18	Szilárd Páll	Merge release-2019 branch into master	blob \| commitdiff \| raw \| diff to current
2018-12-17	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-12-03	Mark Abraham	Move responsibility for PME reduction to its module	blob \| commitdiff \| raw \| diff to current
2018-11-21	Paul Bauer	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-11-20	Mark Abraham	Merge "Merge release-2019 into master"	blob \| commitdiff \| raw \| diff to current
2018-11-16	Roland Schulz	Merge release-2019 into master	blob \| commitdiff \| raw \| diff to current
2018-11-05	Mark Abraham	Make PME OpenCL enabled only for AMD devices	blob \| commitdiff \| raw \| diff to current
2018-10-26	Mark Abraham	Merge "Merge branch release-2018 into release-2019...	blob \| commitdiff \| raw \| diff to current
2018-10-26	Mark Abraham	Merge branch release-2018 into release-2019	blob \| commitdiff \| raw \| diff to current
2018-10-13	Aleksei Iupinov	Add and enable PME OpenCL	blob \| commitdiff \| raw \| diff to current
2018-09-29	Mark Abraham	Remove NVML support	blob \| commitdiff \| raw \| diff to current
2018-09-10	Berk Hess	Fix PME forces with FE without perturbed q/LJ	blob \| commitdiff \| raw \| diff to current
2018-09-10	Roland Schulz	Replace rounding using int(x+0.5) with roundToInt	blob \| commitdiff \| raw \| diff to current
2018-09-07	Magnus Lundborg	Check q perturbation when PME on GPU is tested	blob \| commitdiff \| raw \| diff to current
2018-09-06	Roland Schulz	Change CanBePinned to PinnedIfSupported	blob \| commitdiff \| raw \| diff to current
2018-08-29	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-08-24	Berk Hess	Merge "Merge branch release-2018"	blob \| commitdiff \| raw \| diff to current
2018-08-24	Mark Abraham	Merge branch release-2018	blob \| commitdiff \| raw \| diff to current
2018-08-18	Roland Schulz	readability-implicit-bool-conversion 2/2	blob \| commitdiff \| raw \| diff to current
2018-08-18	Roland Schulz	clang-tidy modernize	blob \| commitdiff \| raw \| diff to current
2018-08-12	Roland Schulz	3/3 of old-style casting	blob \| commitdiff \| raw \| diff to current
2018-08-08	Roland Schulz	Fix part of old-style casting	blob \| commitdiff \| raw \| diff to current
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